1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C16H17ClN2OS — CID 669834

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-4-14(11-13)18-6-8-19(9-7-18)16(20)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyDIVJNDOBKYMBFE-UHFFFAOYSA-N
MW320.84 g/mol
LogP3.29
Rot. Bonds3

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 669834) has the molecular formula C16H17ClN2OS and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID669834
Molecular FormulaC16H17ClN2OS
Molecular Weight320.84 g/mol
Exact Mass320.08
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H17ClN2OS/c17-13-3-1-4-14(11-13)18-6-8-19(9-7-18)16(20)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyDIVJNDOBKYMBFE-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 669834) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DIVJNDOBKYMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-13-3-1-4-14(11-13)18-6-8-19(9-7-18)16(20)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 320.84 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 669834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).